| SpectraBase Spectrum ID |
4Zgt0BhXYst |
| Name |
[bi-3-Cyclohexen-1-yl]-2-one, 4,4'-bis(1,1-dimethylethyl)-2'-hydroxy-, [1'.alpha.(S*),2'.alpha.]-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.240230268 u |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h11-12,15-17,21H,7-10H2,1-6H3/t15-,16?,17+/m0/s1 |
| InChIKey |
ZRCUXOWGNOTYBM-RPCGPGEBSA-N |
| Molecular Weight |
304.474 g/mol |
| SMILES |
C1(C=C(C(C)(C)C)CCC1[C@]1([C@@](C=C(CC1)C(C)(C)C)(O)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867015 |
![[Bi-3-cyclohexen-1-yl]-2-one, 4,4'-bis(1,1-dimethylethyl)-2'-hydroxy-, [1'.alpha.(S*),2'.alpha.]-(.+-.)-](/api/spectrum/4Zgt0BhXYst/structure.png?h=300&w=458 "[Bi-3-cyclohexen-1-yl]-2-one, 4,4'-bis(1,1-dimethylethyl)-2'-hydroxy-, [1'.alpha.(S*),2'.alpha.]-(.+-.)-")
